SCHEMBL632590

SCHEMBL632590

Cc1ccc(Nc2sc(C(=O)c3ccc(Cl)cc3)c(N)c2C#N)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.80
ALDH1A1 P00352 4/20 0.80
POLB P06746 3/20 0.80
KMT2A Q03164 3/20 0.70
HPGD P15428 2/20 0.70
MEN1 O00255 2/20 0.70
ALOX12 P18054 1/20 0.70
GAA P10253 1/20 0.66
LMNA P02545 5/20 0.63
MAPK1 P28482 2/20 0.63
HTT P42858 1/20 0.63
CYP1A2 P05177 2/20 0.61
CYP3A4 P08684 2/20 0.61
CYP2C19 P33261 2/20 0.61
KDM4E B2RXH2 1/20 0.61
KLK7 P49862 1/20 0.61
TP53 P04637 1/20 0.54
RAB9A P51151 1/20 0.52
MELK Q14680 1/20 0.52
GSK3A P49840 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13633822 0.94 ALDH1A1 (0.78) MAPTALDH1A1POLBKMT2AHPGD
SCHEMBL2132850 0.90 ALDH1A1 (0.71) MAPTALDH1A1POLBKMT2AHPGD
SCHEMBL632367 0.89 ALDH1A1 (0.67) MAPTALDH1A1POLBKMT2AHPGD
SCHEMBL4481501 0.89 ALDH1A1 (0.67) MAPTALDH1A1POLBKMT2AHPGD
SCHEMBL2133817 0.89 ALDH1A1 (0.67) MAPTALDH1A1POLBKMT2AHPGD
SCHEMBL632059 0.89 ALDH1A1 (0.67) MAPTALDH1A1POLBKMT2AHPGD
SCHEMBL633259 0.89 ALDH1A1 (0.89) MAPTALDH1A1POLBKMT2AHPGD
SCHEMBL4465841 0.89 MAPT (0.84) MAPTALDH1A1POLBKMT2AHPGD
SCHEMBL4477085 0.89 ALDH1A1 (1.00) MAPTALDH1A1POLBKMT2AHPGD
SCHEMBL631932 0.88 ALDH1A1 (0.66) MAPTALDH1A1POLBKMT2AHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410163-B2 Substituted 4-amino-5-benzoyl-2-(phenylamino)thiophene-3-carbonitriles and substituted 4-amino-5-benzoyl-2-(phenylamino)thiophene-3-carboxamides as tubulin polymerization inhibitors TELIK, INC. (US) 2013-04-02 US claimed
US-20120101286-A1 SUBSTITUTED 4-AMINO-5-BENZOYL-2-(PHENYLAMINO)THIOPHENE-3-CARBONITRILES AND SUBSTITUTED 4-AMINO-5-BENZOYL-2-(PHENYLAMINO)THIOPHENE-3-CARBOXAMIDES AS TUBULIN POLYMERIZATION INHIBITORS TELIK INC. (US) 2012-04-26 US claimed
EP-2419424-A2 Substituted 4-amino-5-benzoyl-2-(phenylamino)thiophene-3-carbonitriles and substituted 4-amino-5-benzoyl-2-(phenylamino)thiophene-3-carboxamides as tubulin polymerization inhibitors Telik, Inc. (US) 2012-02-22 EP claimed
WO-2010120400-A2 Substituted 4-amino-5-benzoyl-2-(phenylamino)thiophene-3-carbonitriles and substituted 4-amino-5-benzoyl-2-(phenylamino)thiophene-3-carboxamides as tubulin polymerization inhibitors TELIK, INC. (US) 2010-10-21 WO claimed
US-8410163-B2 Substituted 4-amino-5-benzoyl-2-(phenylamino)thiophene-3-carbonitriles and substituted 4-amino-5-benzoyl-2-(phenylamino)thiophene-3-carboxamides as tubulin polymerization inhibitors TELIK, INC. (US) 2013-04-02 US disclosed
US-20120101286-A1 SUBSTITUTED 4-AMINO-5-BENZOYL-2-(PHENYLAMINO)THIOPHENE-3-CARBONITRILES AND SUBSTITUTED 4-AMINO-5-BENZOYL-2-(PHENYLAMINO)THIOPHENE-3-CARBOXAMIDES AS TUBULIN POLYMERIZATION INHIBITORS TELIK INC. (US) 2012-04-26 US disclosed
WO-2010120400-A2 Substituted 4-amino-5-benzoyl-2-(phenylamino)thiophene-3-carbonitriles and substituted 4-amino-5-benzoyl-2-(phenylamino)thiophene-3-carboxamides as tubulin polymerization inhibitors TELIK, INC. (US) 2010-10-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120101286-A1 SUBSTITUTED 4-AMINO-5-BENZOYL-2-(PHENYLAMINO)THIOPHENE-3-CARBONITRILES AND SUBSTITUTED 4-AMINO-5-BENZOYL-2-(PHENYLAMINO)THIOPHENE-3-CARBOXAMIDES AS TUBULIN POLYMERIZATION INHIBITORS TUBB3, TUBB4A, TUBB MAPT 37/4885ALDH1A1 2184/4885POLB 745/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.